Information card for entry 4100305

Structure parameters

• Formula: C46 H38 N2 O3 Ru
• Calculated formula: C46 H38 N2 O3 Ru
• SMILES: [Ru]1234([NH2]c5ccc(NCc6ccccc6)cc5)([C]5(=O)[C]1(=[C]2([C]3(=[C]45c1ccccc1)c1ccc(cc1)C)c1ccc(cc1)C)c1ccccc1)(C#[O])C#[O]
• Authors of publication: Ilia A. Guzei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 11.719 ± 0.003 Å
• b: 9.905 ± 0.002 Å
• c: 17.403 ± 0.005 Å
• α: 90°
• β: 97.939 ± 0.01°
• γ: 90°
• Cell volume: 2000.9 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No